SCHEMBL21734147

SCHEMBL21734147

C[C@@H]1c2nc(-c3ccc(F)cn3)c(-c3ccnc(-c4cnn(C)c4)c3)n2[C@H]2CC12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.71
MAPK14 Q16539 6/20 0.71
KDR P35968 6/20 0.71
MKNK1 Q9BUB5 1/20 0.39
PIM1 P11309 2/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ACVR1B P36896 1/20 0.36
CSF1R P07333 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT3 P36888 1/20 0.35
EGFR P00533 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21733870 0.83 KDR (0.72) TGFBR1MAPK14KDR
SCHEMBL21277778 0.83 TGFBR1 (1.00) TGFBR1MAPK14KDR
SCHEMBL20074447 0.83 TGFBR1 (1.00) TGFBR1MAPK14KDR
SCHEMBL20074452 0.83 TGFBR1 (1.00) TGFBR1MAPK14KDR
SCHEMBL20074453 0.83 TGFBR1 (1.00) TGFBR1MAPK14KDR
SCHEMBL21734150 0.83 TGFBR1 (0.71) TGFBR1MAPK14KDR
SCHEMBL21733965 0.70 TGFBR1 (0.72) TGFBR1MAPK14KDR
SCHEMBL16561338 0.68 MKNK1 (0.50) TGFBR1MAPK14KDRMKNK1PIM1
SCHEMBL20074632 0.67 KDR (1.00) TGFBR1MAPK14KDR
SCHEMBL20074639 0.67 KDR (1.00) TGFBR1MAPK14KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-02-02 US disclosed
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-02-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10906905-B2 Five-membered heteroaryl ring bridged ring derivative, preparation method therefor and medical use thereof TGFBR1, TGFB2, TGFB1 TGFBR1 1/4885MAPK14 1887/4885KDR 227/4885
US-20200055852-A1 FIVE-MEMBERED HETEROARYL RING BRIDGED RING DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF TGFBR1, TGFB2, TGFB1 TGFBR1 1/4885MAPK14 1887/4885KDR 227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.